N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide

C30H28FNO2 — CID 161200705

IUPACN-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)CCCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H28FNO2/c31-27-18-14-23(15-19-27)20-28(29(33)13-7-4-10-22-8-2-1-3-9-22)32-30(34)26-17-16-24-11-5-6-12-25(24)21-26/h1-3,5-6,8-9,11-12,14-19,21,28H,4,7,10,13,20H2,(H,32,34)/t28-/m0/s1
InChIKeyUUYBKHVQVLUARR-NDEPHWFRSA-N
MW453.56 g/mol
LogP6.30
Rot. Bonds10

About N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide

N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide (PubChem CID 161200705) has the molecular formula C30H28FNO2 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
PubChem CID161200705
Molecular FormulaC30H28FNO2
Molecular Weight453.56 g/mol
Exact Mass453.21
IUPAC NameN-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)CCCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H28FNO2/c31-27-18-14-23(15-19-27)20-28(29(33)13-7-4-10-22-8-2-1-3-9-22)32-30(34)26-17-16-24-11-5-6-12-25(24)21-26/h1-3,5-6,8-9,11-12,14-19,21,28H,4,7,10,13,20H2,(H,32,34)/t28-/m0/s1
InChIKeyUUYBKHVQVLUARR-NDEPHWFRSA-N
XLogP6.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide (CID 161200705) is N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide is O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)CCCCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide?
The InChIKey is UUYBKHVQVLUARR-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H28FNO2/c31-27-18-14-23(15-19-27)20-28(29(33)13-7-4-10-22-8-2-1-3-9-22)32-30(34)26-17-16-24-11-5-6-12-25(24)21-26/h1-3,5-6,8-9,11-12,14-19,21,28H,4,7,10,13,20H2,(H,32,34)/t28-/m0/s1.
What are the key properties of N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 161200705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).